2-(4-methoxyphenyl)-1-methyl-3,7-bis(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole

C33H29N3O — CID 72544996

IUPAC2-(4-methoxyphenyl)-1-methyl-3,7-bis(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)n3nc(-c4ccccc4)c(-c4ccc(C)cc4)c3n2C)cc1
InChIInChI=1S/C33H29N3O/c1-22-10-14-24(15-11-22)29-30(25-8-6-5-7-9-25)34-36-32(27-16-12-23(2)13-17-27)31(35(3)33(29)36)26-18-20-28(37-4)21-19-26/h5-21H,1-4H3
InChIKeyRNDMBKOHWAEYES-UHFFFAOYSA-N
MW483.62 g/mol
LogP7.97
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-methyl-3,7-bis(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole

2-(4-methoxyphenyl)-1-methyl-3,7-bis(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole (PubChem CID 72544996) has the molecular formula C33H29N3O and a molecular weight of 483.62 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methyl-3,7-bis(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methyl-3,7-bis(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole
PubChem CID72544996
Molecular FormulaC33H29N3O
Molecular Weight483.62 g/mol
Exact Mass483.23
IUPAC Name2-(4-methoxyphenyl)-1-methyl-3,7-bis(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)n3nc(-c4ccccc4)c(-c4ccc(C)cc4)c3n2C)cc1
InChIInChI=1S/C33H29N3O/c1-22-10-14-24(15-11-22)29-30(25-8-6-5-7-9-25)34-36-32(27-16-12-23(2)13-17-27)31(35(3)33(29)36)26-18-20-28(37-4)21-19-26/h5-21H,1-4H3
InChIKeyRNDMBKOHWAEYES-UHFFFAOYSA-N
XLogP7.97
TPSA31.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole
CID 41673734
1-(1-ethyl-1H-imidazol-2-yl)-N-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}-N-methylmethanamine
CID 16189954
N-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(2-methyl-1H-imidazol-1-yl)ethanamine
CID 16190023
2-(4-Methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazole
CID 102313335
4-[[2-(4-Methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-7-yl]methyl]morpholine
CID 118710922
1-(1,3-diphenyl-1H-pyrazol-5-yl)-2-(4-methoxyphenyl)-1H-benzimidazole
CID 2836105
4-(4-Methoxyphenyl)-1,5,6,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,4,9,11,13,15-hexaene
CID 2999839
4-[[2-(4-Methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine
CID 118710901
2-(4-Methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole
CID 118710903
2-(4-Methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 118710919
2-(4-Methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 118710921
4-[[2-(4-Methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine
CID 118710928

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methyl-3,7-bis(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-methyl-3,7-bis(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole (CID 72544996) is 2-(4-methoxyphenyl)-1-methyl-3,7-bis(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methyl-3,7-bis(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methyl-3,7-bis(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole is COc1ccc(-c2c(-c3ccc(C)cc3)n3nc(-c4ccccc4)c(-c4ccc(C)cc4)c3n2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methyl-3,7-bis(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole?
The InChIKey is RNDMBKOHWAEYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O/c1-22-10-14-24(15-11-22)29-30(25-8-6-5-7-9-25)34-36-32(27-16-12-23(2)13-17-27)31(35(3)33(29)36)26-18-20-28(37-4)21-19-26/h5-21H,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-1-methyl-3,7-bis(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole?
2-(4-methoxyphenyl)-1-methyl-3,7-bis(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole has a molecular weight of 483.62 g/mol, XLogP of 7.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-methyl-3,7-bis(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole is sourced from PubChem (CID 72544996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).